2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine

C29H28N2 — CID 175208267

IUPAC2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N)ccc2-c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc21
InChIInChI=1S/C29H28N2/c1-29(2)27-17-23(30)13-15-25(27)26-16-14-24(18-28(26)29)31(19-21-9-5-3-6-10-21)20-22-11-7-4-8-12-22/h3-18H,19-20,30H2,1-2H3
InChIKeyIXHNYFIEKYAPQA-UHFFFAOYSA-N
MW404.56 g/mol
LogP6.78
Rot. Bonds5

About 2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine

2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine (PubChem CID 175208267) has the molecular formula C29H28N2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine
PubChem CID175208267
Molecular FormulaC29H28N2
Molecular Weight404.56 g/mol
Exact Mass404.23
IUPAC Name2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N)ccc2-c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc21
InChIInChI=1S/C29H28N2/c1-29(2)27-17-23(30)13-15-25(27)26-16-14-24(18-28(26)29)31(19-21-9-5-3-6-10-21)20-22-11-7-4-8-12-22/h3-18H,19-20,30H2,1-2H3
InChIKeyIXHNYFIEKYAPQA-UHFFFAOYSA-N
XLogP6.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine
CID 145202751
9,9-dimethylfluorene-2,6-diamine
CID 156512652
N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline
CID 71724240
4-[[N-[(4-aminophenyl)methyl]anilino]methyl]aniline;ethane
CID 90899245
[3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol
CID 20580158
6-benzyl-9,9-dimethylfluoren-3-amine
CID 129301138
2-amino-5-(dibenzylamino)benzoic acid
CID 91288703
2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine
CID 59742364
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
CID 62589958
N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
CID 142549273

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine?
The IUPAC name of 2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine (CID 175208267) is 2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine?
The canonical SMILES for 2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine is CC1(C)c2cc(N)ccc2-c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc21.
What is the InChIKey of 2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine?
The InChIKey is IXHNYFIEKYAPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2/c1-29(2)27-17-23(30)13-15-25(27)26-16-14-24(18-28(26)29)31(19-21-9-5-3-6-10-21)20-22-11-7-4-8-12-22/h3-18H,19-20,30H2,1-2H3.
What are the key properties of 2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine?
2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine has a molecular weight of 404.56 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine is sourced from PubChem (CID 175208267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).